Transition States for Low-Temperature Oxidation Reactions of Tetrahydrofuran

Transition state data for low-temperature oxidation reactions of tetrahydrofuran, discovered via automated exploration. The dataset was authored by Hsuan-Hao Hsu and last updated on April 22, 2026. It is a small dataset of 117.8 KB, available in CSV and XYZ file formats.

Use Cases

• Modeling reaction kinetics based on discovered transition states.
• Validating automated reaction exploration algorithms based on the provided pathways.
• Studying low-temperature oxidation mechanisms for tetrahydrofuran.
• Training machine learning models for transition state prediction using the reaction data.

Strengths

• Data is licensed under CC-BY-4.0, permitting open sharing and adaptation.
• Dataset is small (117.8 KB), facilitating quick download and inspection.
• Associated with a specific research paper, providing academic context.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

Hsuan-Hao Hsu via figshare

Collection Method

Likely generated via automated computational exploration of chemical reaction pathways.

Freshness

Last updated 2026-04-22 11:43:37; freshness should be verified.